Na(Pm2Cu)4
Alexandria ALEXAlex-ID: agm097601985 · 空间群: Pm (#6)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C8_1736_spg8
Na PmCu Pm
2025-06-17 02:13:24
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097601985).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
晶体结构 3D 渲染
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm097601985
data_agm097601985
_cell_length_a 3.85981
_cell_length_b 10.07603
_cell_length_c 9.83252
_cell_angle_alpha 71.23182
_cell_angle_beta 89.99274
_cell_angle_gamma 89.99138
_cell_volume 362.06910
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Na1 Na 0.23105 0.12687 0.97044 1.00000
Pm1 Pm 0.73091 0.15576 0.25932 1.00000
Pm2 Pm 0.73068 0.52605 0.14685 1.00000
Pm3 Pm 0.73095 0.82168 0.54965 1.00000
Pm4 Pm 0.73109 0.09522 0.70152 1.00000
Pm5 Pm 0.23053 0.79502 0.24718 1.00000
Pm6 Pm 0.23063 0.36891 0.46596 1.00000
Pm7 Pm 0.73102 0.45615 0.78719 1.00000
Pm8 Pm 0.23088 0.75870 0.86793 1.00000
Cu1 Cu 0.73051 0.89159 0.01121 1.00000
Cu2 Cu 0.23084 0.37339 0.04543 1.00000
Cu3 Cu 0.73009 0.58644 0.44629 1.00000
Cu4 Cu 0.23083 0.04423 0.50102 1.00000
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